#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qex n LYS 2 N 0.00 0.52 -2.19 4.33 2.85 -1.26 -4.90 118.16 117.51 2qex n LYS 2 Ca 0.00 -0.11 -0.42 0.00 -1.05 0.00 0.00 58.31 56.72 2qex n LYS 2 Cb 0.00 -1.56 -0.03 0.00 -0.65 0.00 0.00 35.03 32.79 2qex n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 2qex s GLN 3 N -3.40 4.23 0.31 -1.58 -0.21 -1.26 -4.94 119.66 112.81 2qex s GLN 3 Ca -0.04 1.97 0.06 0.00 0.02 0.00 0.00 55.36 57.37 2qex s GLN 3 Cb 0.14 -3.79 0.73 0.00 1.00 0.00 0.00 33.01 31.09 2qex s GLN 3 CO 0.88 -0.72 1.79 -1.35 -2.12 0.00 0.00 175.29 173.77 2qex h PRO 4 N 8.59 0.76 0.08 2.91 0.11 -2.00 -2.72 132.00 139.73 2qex h PRO 4 Ca -0.35 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.72 2qex h PRO 4 Cb 1.16 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2qex h PRO 4 CO 0.94 0.50 -0.10 -0.44 -0.21 0.00 0.00 178.00 178.70 2qex h ASP 5 N 0.78 -0.26 0.61 -2.05 5.19 -2.00 -2.35 116.42 116.34 2qex h ASP 5 Ca 0.57 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.98 2qex h ASP 5 Cb 0.86 0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.46 2qex h ASP 5 CO -0.36 -0.15 -0.12 0.11 -3.12 0.00 0.00 179.24 175.60 2qex h LYS 6 N -0.21 0.00 -0.05 3.56 1.57 -1.90 -1.64 116.57 117.89 2qex h LYS 6 Ca 0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2qex h LYS 6 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2qex h LYS 6 CO -0.04 0.12 -0.19 1.96 -0.57 0.00 0.00 179.45 180.73 2qex h GLN 7 N 0.00 0.22 -0.60 3.15 1.08 -1.27 -2.42 115.11 115.27 2qex h GLN 7 Ca -0.00 -0.17 -0.08 0.00 -1.45 0.00 0.00 58.65 56.95 2qex h GLN 7 Cb 0.46 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 2qex h GLN 7 CO 0.02 0.81 0.05 0.00 -0.95 0.00 0.00 178.83 178.75 2qex h ARG 8 N -0.31 1.01 -0.38 1.46 3.08 -1.25 -3.02 114.38 114.96 2qex h ARG 8 Ca -0.01 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 2qex h ARG 8 Cb 0.83 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 2qex h ARG 8 CO 0.04 0.96 0.14 -0.22 -1.07 0.00 0.00 179.97 179.82 2qex h LYS 9 N 0.94 0.57 0.00 0.04 3.64 -1.34 -2.06 116.57 118.36 2qex h LYS 9 Ca 0.18 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2qex h LYS 9 Cb 0.47 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2qex h LYS 9 CO 0.02 0.56 -0.08 0.66 -2.27 0.00 0.00 179.45 178.34 2qex h SER 10 N 0.46 0.00 0.18 4.20 4.64 -1.39 -0.96 113.55 120.68 2qex h SER 10 Ca 0.12 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.20 2qex h SER 10 Cb 0.21 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.32 2qex h SER 10 CO -0.01 0.08 -1.10 1.56 -0.87 0.00 0.00 176.83 176.49 2qex h GLN 11 N 0.00 0.38 0.00 4.77 4.20 -1.37 -2.86 115.11 120.23 2qex h GLN 11 Ca -0.00 -0.64 0.00 0.00 0.06 0.00 0.00 58.65 58.07 2qex h GLN 11 Cb 0.44 0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2qex h GLN 11 CO 0.01 1.31 0.00 0.00 -0.67 0.00 0.00 178.83 179.48 2qex h ARG 12 N -0.19 0.00 -0.15 1.46 3.08 -1.10 -3.22 114.38 114.25 2qex h ARG 12 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2qex h ARG 12 Cb 1.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.88 2qex h ARG 12 CO 0.19 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.63 2qex n ARG 13 N -2.52 2.53 -2.14 0.04 1.74 -0.39 -5.03 116.66 110.90 2qex n ARG 13 Ca 0.03 -2.25 -0.42 0.00 -0.77 0.00 0.00 57.85 54.45 2qex n ARG 13 Cb 0.36 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 2qex n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qex s ALA 14 N -1.93 3.60 0.94 7.54 0.00 -1.08 -4.99 121.76 125.83 2qex s ALA 14 Ca 0.24 1.17 -0.11 0.00 0.00 0.00 0.00 51.96 53.27 2qex s ALA 14 Cb 0.19 -3.53 0.16 0.00 0.00 0.00 0.00 23.12 19.93 2qex s ALA 14 CO 0.07 -0.62 1.11 -2.14 0.00 0.00 0.00 175.76 174.18 2qex s PRO 15 N 0.49 0.84 0.22 0.00 0.02 -1.26 -4.77 135.00 130.55 2qex s PRO 15 Ca 0.62 1.31 -0.15 0.00 0.02 0.00 0.00 61.00 62.80 2qex s PRO 15 Cb -0.38 -1.72 0.26 0.00 0.02 0.00 0.00 34.50 32.67 2qex s PRO 15 CO 0.35 -2.67 1.59 -0.07 -0.33 0.00 0.00 177.00 175.86 2qex h LEU 16 N -1.89 -0.94 -1.96 -5.54 3.38 -1.99 -0.18 115.31 106.20 2qex h LEU 16 Ca -0.47 0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2qex h LEU 16 Cb 1.28 0.55 -0.00 0.00 0.09 0.00 0.00 40.66 42.57 2qex h LEU 16 CO 0.45 -0.28 -0.07 1.12 0.09 0.00 0.00 178.44 179.76 2qex h HIS 17 N -0.05 0.00 -0.03 1.13 2.07 -2.03 -1.70 115.15 114.55 2qex h HIS 17 Ca 0.33 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.85 2qex h HIS 17 Cb 0.57 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.55 2qex h HIS 17 CO -0.66 0.07 0.00 0.39 -3.07 0.00 0.00 177.93 174.66 2qex n GLU 18 N -3.36 1.34 0.01 5.12 1.02 -0.09 -3.66 120.64 121.02 2qex n GLU 18 Ca -0.01 -0.50 0.11 0.00 -0.02 0.00 0.00 57.16 56.74 2qex n GLU 18 Cb 0.24 -1.45 0.06 0.00 -0.02 0.00 0.00 31.44 30.27 2qex n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2qex n ARG 19 N -0.36 0.07 -0.01 3.49 1.74 -0.64 -4.13 116.66 116.82 2qex n ARG 19 Ca 0.20 -0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.35 2qex n ARG 19 Cb 0.22 -1.52 0.48 0.00 -1.02 0.00 0.00 32.46 30.63 2qex n ARG 19 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qex h HIS 20 N 0.00 0.42 0.00 -1.55 3.86 -1.70 -0.03 115.15 116.14 2qex h HIS 20 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2qex h HIS 20 Cb 0.55 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.88 2qex h HIS 20 CO 0.00 0.23 0.00 1.57 0.86 0.00 0.00 177.93 180.59 2qex h LYS 21 N 0.42 0.00 -0.00 2.45 2.10 -1.85 -2.81 116.57 116.89 2qex h LYS 21 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 2qex h LYS 21 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 2qex h LYS 21 CO -0.05 0.00 -0.20 1.04 -2.00 0.00 0.00 179.45 178.24 2qex n GLN 22 N -2.33 0.20 -1.95 0.07 6.02 -0.03 -3.68 117.38 115.68 2qex n GLN 22 Ca 0.03 -0.07 -0.24 0.00 -0.01 0.00 0.00 57.00 56.72 2qex n GLN 22 Cb 0.30 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.09 2qex n GLN 22 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2qex n VAL 23 N -1.34 2.57 -3.89 5.09 0.24 -1.06 -4.73 118.33 115.21 2qex n VAL 23 Ca 0.09 -4.13 -0.35 0.00 -2.04 0.00 0.00 64.34 57.90 2qex n VAL 23 Cb 0.32 -1.11 -0.05 0.00 -1.47 0.00 0.00 33.84 31.52 2qex n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2qex s ARG 24 N -3.60 3.44 0.11 7.34 0.52 -1.24 -1.94 118.95 123.58 2qex s ARG 24 Ca 0.51 -0.22 0.04 0.00 -0.52 0.00 0.00 55.73 55.54 2qex s ARG 24 Cb 0.41 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.70 2qex s ARG 24 CO 0.03 0.73 -0.11 0.00 0.02 0.00 0.00 175.30 175.98 2qex s ALA 25 N -1.17 1.25 0.54 2.13 0.00 0.23 -4.23 121.76 120.51 2qex s ALA 25 Ca 0.21 -1.28 -0.20 0.00 0.00 0.00 0.00 51.96 50.69 2qex s ALA 25 Cb -0.12 0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.96 2qex s ALA 25 CO 0.11 -0.03 1.14 -0.08 0.00 0.00 0.00 175.76 176.89 2qex s THR 26 N -2.63 3.12 0.40 0.00 -1.32 -1.23 -1.20 115.64 112.79 2qex s THR 26 Ca 0.09 0.71 -0.04 0.00 -1.21 0.00 0.00 61.69 61.24 2qex s THR 26 Cb -0.02 -3.29 -0.04 0.00 -1.51 0.00 0.00 72.50 67.64 2qex s THR 26 CO 0.00 -0.14 0.67 -0.76 -2.21 0.00 0.00 174.62 172.18 2qex s LEU 27 N -3.77 3.83 1.12 9.08 1.43 0.13 -1.44 118.68 129.05 2qex s LEU 27 Ca 0.73 0.75 -0.16 0.00 -1.03 0.00 0.00 54.13 54.42 2qex s LEU 27 Cb -0.25 -3.65 0.25 0.00 0.03 0.00 0.00 46.19 42.57 2qex s LEU 27 CO 0.28 -0.42 1.11 -0.94 0.23 0.00 0.00 176.35 176.61 2qex s SER 28 N -3.88 1.64 0.14 2.29 1.04 -1.00 -4.71 113.70 109.22 2qex s SER 28 Ca 0.45 0.83 -0.16 0.00 0.48 0.00 0.00 55.95 57.54 2qex s SER 28 Cb -0.10 -1.24 -0.00 0.00 0.10 0.00 0.00 66.02 64.78 2qex s SER 28 CO 0.39 -3.70 1.74 0.00 0.98 0.00 0.00 173.24 172.65 2qex h ALA 29 N -2.29 0.50 0.25 5.32 0.00 -1.98 -0.75 119.26 120.29 2qex h ALA 29 Ca -0.49 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 2qex h ALA 29 Cb 1.31 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2qex h ALA 29 CO 0.44 0.03 -0.12 -0.44 0.00 0.00 0.00 179.25 179.16 2qex h ASP 30 N 0.49 -0.28 -0.96 0.00 3.32 -1.98 -2.64 116.42 114.38 2qex h ASP 30 Ca 0.14 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.18 2qex h ASP 30 Cb 0.07 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.63 2qex h ASP 30 CO -0.02 -0.12 0.62 -0.07 -1.72 0.00 0.00 179.24 177.93 2qex h LEU 31 N -0.43 1.00 -0.87 1.55 3.38 -1.90 0.21 115.31 118.26 2qex h LEU 31 Ca -0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2qex h LEU 31 Cb 0.32 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2qex h LEU 31 CO 0.06 0.66 0.12 0.03 0.09 0.00 0.00 178.44 179.40 2qex h ARG 32 N 1.15 0.96 -0.07 1.13 3.08 -1.07 -1.65 114.38 117.90 2qex h ARG 32 Ca 0.40 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 2qex h ARG 32 Cb 0.11 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 2qex h ARG 32 CO -0.14 0.87 -0.06 1.49 -1.07 0.00 0.00 179.97 181.06 2qex h GLU 33 N 0.92 0.17 -0.58 0.04 4.57 -0.91 0.13 114.58 118.92 2qex h GLU 33 Ca 0.19 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.25 2qex h GLU 33 Cb 0.36 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 2qex h GLU 33 CO 0.00 0.58 0.21 1.49 -1.18 0.00 0.00 179.01 180.11 2qex h GLU 34 N -0.25 0.85 -0.00 1.92 4.81 -0.53 -3.31 114.58 118.07 2qex h GLU 34 Ca 0.01 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2qex h GLU 34 Cb 0.55 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2qex h GLU 34 CO 0.02 0.72 -0.41 0.66 -0.73 0.00 0.00 179.01 179.26 2qex n TYR 35 N -4.31 0.00 -3.27 0.92 4.02 -0.63 -5.03 117.16 108.87 2qex n TYR 35 Ca 0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.77 2qex n TYR 35 Cb 0.18 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.57 2qex n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qex n GLY 36 N 1.14 -0.19 3.12 2.72 0.00 0.45 -4.81 105.19 107.63 2qex n GLY 36 Ca 0.04 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 2qex n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qex s GLN 37 N -5.71 0.61 -0.09 1.61 -0.21 -1.18 -5.06 119.66 109.63 2qex s GLN 37 Ca 0.31 -0.82 0.16 0.00 0.02 0.00 0.00 55.36 55.03 2qex s GLN 37 Cb -0.14 0.24 -0.23 0.00 1.00 0.00 0.00 33.01 33.88 2qex s GLN 37 CO 0.56 -0.15 0.44 -2.13 -2.12 0.00 0.00 175.29 171.89 2qex n ARG 38 N 0.64 0.65 -3.37 2.91 0.63 -1.26 -4.20 116.66 112.67 2qex n ARG 38 Ca -0.18 0.14 -0.12 0.00 -0.92 0.00 0.00 57.85 56.77 2qex n ARG 38 Cb 0.59 -1.67 -0.04 0.00 0.45 0.00 0.00 32.46 31.79 2qex n ARG 38 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2qex n ASN 39 N -2.86 -0.65 -3.60 6.15 6.94 -1.26 0.18 115.26 120.16 2qex n ASN 39 Ca -0.21 -2.38 -0.09 0.00 -0.02 0.00 0.00 54.58 51.87 2qex n ASN 39 Cb 1.03 1.35 -0.02 0.00 -2.36 0.00 0.00 39.78 39.78 2qex n ASN 39 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2qex s VAL 40 N -2.82 0.00 -0.57 3.53 0.11 -0.34 -4.79 120.40 115.53 2qex s VAL 40 Ca 0.24 -0.38 -0.24 0.00 -2.93 0.00 0.00 61.98 58.67 2qex s VAL 40 Cb 0.01 -1.42 0.04 0.00 -1.53 0.00 0.00 36.38 33.48 2qex s VAL 40 CO 0.17 0.00 0.95 -0.60 -3.33 0.00 0.00 175.10 172.29 2qex s ARG 41 N -3.67 3.30 0.04 1.54 3.52 -1.24 -0.60 118.95 121.84 2qex s ARG 41 Ca 0.06 -0.32 -0.38 0.00 -0.13 0.00 0.00 55.73 54.96 2qex s ARG 41 Cb -0.03 -4.08 -0.18 0.00 -1.56 0.00 0.00 34.95 29.11 2qex s ARG 41 CO -0.05 -1.54 1.30 0.28 -0.81 0.00 0.00 175.30 174.48 2qex n VAL 42 N 6.17 0.01 -4.23 7.11 0.31 -0.82 -4.97 118.33 121.91 2qex n VAL 42 Ca 0.01 -0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.11 2qex n VAL 42 Cb 0.47 -0.63 -0.07 0.00 -0.91 0.00 0.00 33.84 32.70 2qex n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2qex s ASN 43 N 0.55 4.53 0.00 4.52 0.01 -1.26 -5.00 114.94 118.29 2qex s ASN 43 Ca 0.87 -0.75 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 2qex s ASN 43 Cb -1.05 -0.75 0.00 0.00 0.41 0.00 0.00 41.25 39.86 2qex s ASN 43 CO 0.51 -0.14 0.35 0.00 -1.51 0.00 0.00 177.10 176.30 2qex n ALA 44 N -1.00 1.87 0.00 0.60 0.00 -1.26 -2.08 120.51 118.64 2qex n ALA 44 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2qex n ALA 44 Cb 0.60 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.05 2qex n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qex n GLY 45 N 0.17 0.00 3.69 0.00 0.00 -1.26 -4.67 105.19 103.13 2qex n GLY 45 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2qex n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qex s ASP 46 N -1.26 3.31 -0.16 1.61 1.01 -0.88 -4.43 116.67 115.87 2qex s ASP 46 Ca 0.00 2.24 -0.01 0.00 0.71 0.00 0.00 52.55 55.50 2qex s ASP 46 Cb 0.00 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 2qex s ASP 46 CO 0.00 -2.85 -0.12 -0.89 0.21 0.00 0.00 175.17 171.52 2qex s THR 47 N -2.45 3.03 0.19 -1.27 2.01 0.07 -1.57 115.64 115.66 2qex s THR 47 Ca 0.69 -0.65 0.08 0.00 0.31 0.00 0.00 61.69 62.12 2qex s THR 47 Cb -0.25 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 2qex s THR 47 CO 0.54 0.50 -0.15 -0.69 -0.69 0.00 0.00 174.62 174.13 2qex s VAL 48 N 0.70 1.72 -0.06 3.82 1.01 -0.49 -0.30 120.40 126.80 2qex s VAL 48 Ca -0.06 -2.10 0.05 0.00 0.00 0.00 0.00 61.98 59.88 2qex s VAL 48 Cb -0.15 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 2qex s VAL 48 CO 0.02 -0.51 -0.21 -1.83 0.00 0.00 0.00 175.10 172.57 2qex s GLU 49 N -3.34 2.28 0.02 2.72 -1.05 0.49 -1.79 118.70 118.02 2qex s GLU 49 Ca 0.20 -0.77 -0.30 0.00 -0.15 0.00 0.00 54.97 53.95 2qex s GLU 49 Cb -0.02 -1.92 -0.04 0.00 -0.44 0.00 0.00 34.13 31.72 2qex s GLU 49 CO 0.06 0.29 0.99 0.08 0.95 0.00 0.00 175.26 177.64 2qex s VAL 50 N 0.01 4.76 -0.55 1.83 1.01 -0.21 -1.59 120.40 125.65 2qex s VAL 50 Ca -0.06 2.01 0.06 0.00 0.00 0.00 0.00 61.98 63.99 2qex s VAL 50 Cb -0.13 -4.29 0.01 0.00 0.00 0.00 0.00 36.38 31.96 2qex s VAL 50 CO 0.04 0.17 0.51 0.18 0.00 0.00 0.00 175.10 176.00 2qex n LEU 51 N 3.77 1.01 0.10 3.92 4.77 -0.85 -0.23 117.00 129.48 2qex n LEU 51 Ca 0.06 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 2qex n LEU 51 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2qex n LEU 51 CO 0.52 0.21 0.00 0.54 -1.33 0.00 0.00 177.39 177.34 2qex n ARG 52 N -0.24 0.00 0.00 3.23 5.12 -1.25 -4.86 116.66 118.66 2qex n ARG 52 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 2qex n ARG 52 Cb 0.12 -0.25 0.00 0.00 -1.16 0.00 0.00 32.46 31.17 2qex n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qex n GLY 53 N 2.50 -3.23 0.21 -0.13 0.00 -1.26 -4.59 105.19 98.70 2qex n GLY 53 Ca 0.00 -0.84 0.11 0.00 0.00 0.00 0.00 46.02 45.30 2qex n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qex h ASP 54 N 0.00 0.00 -0.54 1.61 3.45 -2.01 -3.15 116.42 115.78 2qex h ASP 54 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2qex h ASP 54 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2qex h ASP 54 CO 0.00 0.03 0.00 0.49 -1.57 0.00 0.00 179.24 178.19 2qex n PHE 55 N -3.09 1.36 -1.71 4.55 3.01 -1.26 -4.95 117.46 115.37 2qex n PHE 55 Ca 0.04 -0.52 -0.42 0.00 1.01 0.00 0.00 57.45 57.55 2qex n PHE 55 Cb 0.54 -0.26 -0.03 0.00 -0.01 0.00 0.00 39.48 39.72 2qex n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qex s ALA 56 N -1.93 3.73 0.00 4.37 0.00 -1.19 -1.87 121.76 124.87 2qex s ALA 56 Ca 0.44 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.82 2qex s ALA 56 Cb 0.29 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2qex s ALA 56 CO 0.19 -1.29 0.00 0.41 0.00 0.00 0.00 175.76 175.08 2qex n GLY 57 N 4.29 2.53 3.74 0.00 0.00 0.68 -4.96 105.19 111.46 2qex n GLY 57 Ca 0.18 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 2qex n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qex s GLU 58 N 0.00 1.74 0.06 1.61 2.02 -0.78 -4.75 118.70 118.60 2qex s GLU 58 Ca 0.00 0.95 -0.03 0.00 0.02 0.00 0.00 54.97 55.91 2qex s GLU 58 Cb 0.00 -1.85 -0.03 0.00 0.10 0.00 0.00 34.13 32.35 2qex s GLU 58 CO 0.00 -1.94 0.03 -2.00 0.02 0.00 0.00 175.26 171.37 2qex s GLU 59 N -4.94 0.67 0.00 1.61 2.12 -1.26 -1.04 118.70 115.85 2qex s GLU 59 Ca 0.62 -1.13 0.00 0.00 0.36 0.00 0.00 54.97 54.82 2qex s GLU 59 Cb -0.17 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.46 2qex s GLU 59 CO 0.56 -0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.54 2qex n GLY 60 N 0.10 -0.92 3.84 -1.50 0.00 -0.74 -4.96 105.19 101.01 2qex n GLY 60 Ca -0.15 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 2qex n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qex s GLU 61 N -2.00 4.08 -0.39 1.61 2.12 -1.26 -1.40 118.70 121.46 2qex s GLU 61 Ca 0.00 0.70 -0.27 0.00 0.36 0.00 0.00 54.97 55.76 2qex s GLU 61 Cb 0.00 -2.66 0.02 0.00 0.26 0.00 0.00 34.13 31.75 2qex s GLU 61 CO 0.00 0.29 1.02 0.08 -0.54 0.00 0.00 175.26 176.11 2qex s VAL 62 N -1.75 4.46 -0.06 3.70 1.01 -0.61 0.12 120.40 127.28 2qex s VAL 62 Ca 0.48 1.30 -0.07 0.00 0.00 0.00 0.00 61.98 63.69 2qex s VAL 62 Cb -0.13 -4.44 -0.28 0.00 0.00 0.00 0.00 36.38 31.53 2qex s VAL 62 CO 0.19 -0.67 0.62 0.40 0.00 0.00 0.00 175.10 175.64 2qex h ILE 63 N 5.93 0.89 -3.60 2.22 1.08 -0.42 -3.35 117.51 120.26 2qex h ILE 63 Ca -0.22 -2.54 -0.16 0.00 -0.39 0.00 0.00 64.86 61.55 2qex h ILE 63 Cb 1.07 2.67 -0.22 0.00 -3.07 0.00 0.00 36.82 37.27 2qex h ILE 63 CO 1.04 0.84 -0.55 0.21 -0.69 0.00 0.00 178.15 179.00 2qex s ASN 64 N -7.08 0.05 -0.10 1.72 2.47 -1.07 -4.92 114.94 106.01 2qex s ASN 64 Ca -0.16 -0.20 -0.01 0.00 0.42 0.00 0.00 52.86 52.92 2qex s ASN 64 Cb 0.06 0.19 0.03 0.00 -1.45 0.00 0.00 41.25 40.08 2qex s ASN 64 CO 0.83 -0.30 -0.06 -0.69 -3.72 0.00 0.00 177.10 173.16 2qex s VAL 65 N -1.17 0.84 -0.28 -5.21 1.01 -1.26 0.23 120.40 114.55 2qex s VAL 65 Ca -0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 2qex s VAL 65 Cb -0.07 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.45 2qex s VAL 65 CO 0.01 0.33 -0.00 -0.62 0.00 0.00 0.00 175.10 174.82 2qex s ASP 66 N 1.72 4.71 0.14 3.32 -1.08 0.58 -5.00 116.67 121.06 2qex s ASP 66 Ca 0.04 -0.95 -0.06 0.00 -0.52 0.00 0.00 52.55 51.06 2qex s ASP 66 Cb -0.13 -1.74 -0.06 0.00 -1.46 0.00 0.00 42.92 39.53 2qex s ASP 66 CO -0.07 -0.19 1.34 -0.07 0.52 0.00 0.00 175.17 176.71 2qex h LEU 67 N 8.07 0.65 -1.41 -1.34 3.38 -1.95 0.31 115.31 123.04 2qex h LEU 67 Ca -0.29 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.21 2qex h LEU 67 Cb 1.10 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 2qex h LEU 67 CO 0.57 1.24 0.31 -0.78 0.09 0.00 0.00 178.44 179.87 2qex h ASP 68 N 0.34 0.62 -0.00 -0.43 1.82 -1.97 -2.74 116.42 114.07 2qex h ASP 68 Ca -0.06 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 2qex h ASP 68 Cb 1.44 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.29 2qex h ASP 68 CO 0.15 0.49 -0.50 0.29 -1.61 0.00 0.00 179.24 178.06 2qex n LYS 69 N -4.42 2.43 -3.48 0.28 5.02 -1.23 -5.02 118.16 111.74 2qex n LYS 69 Ca 0.05 -0.25 -0.21 0.00 -2.02 0.00 0.00 58.31 55.88 2qex n LYS 69 Cb 0.08 -1.14 0.06 0.00 -0.02 0.00 0.00 35.03 34.01 2qex n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qex n ALA 70 N -0.92 -2.37 -2.53 7.82 0.00 0.10 -5.03 120.51 117.59 2qex n ALA 70 Ca 0.04 -0.05 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 2qex n ALA 70 Cb 0.23 -4.25 -0.10 0.00 0.00 0.00 0.00 19.45 15.34 2qex n ALA 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qex s VAL 71 N -3.46 0.16 0.05 0.00 1.01 -0.62 -4.73 120.40 112.81 2qex s VAL 71 Ca 0.33 -1.33 0.06 0.00 0.00 0.00 0.00 61.98 61.04 2qex s VAL 71 Cb -0.07 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 2qex s VAL 71 CO 0.79 -0.73 -0.17 0.27 0.00 0.00 0.00 175.10 175.25 2qex s ILE 72 N -2.94 1.39 -0.22 2.22 -4.36 -0.92 -0.30 121.20 116.06 2qex s ILE 72 Ca -0.02 -1.18 -0.08 0.00 -0.26 0.00 0.00 60.65 59.11 2qex s ILE 72 Cb 0.01 -1.25 -0.04 0.00 1.25 0.00 0.00 42.46 42.43 2qex s ILE 72 CO -0.06 0.04 0.08 -1.00 0.24 0.00 0.00 174.94 174.23 2qex s HIS 73 N -0.93 3.18 0.03 1.37 3.76 0.13 -2.20 115.29 120.64 2qex s HIS 73 Ca 0.04 -0.10 0.03 0.00 -0.15 0.00 0.00 55.06 54.88 2qex s HIS 73 Cb -0.09 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.39 2qex s HIS 73 CO 0.02 -0.07 -0.00 0.08 -0.85 0.00 0.00 174.74 173.92 2qex s VAL 74 N 0.99 4.07 0.25 -0.90 1.01 -1.26 0.31 120.40 124.87 2qex s VAL 74 Ca 0.04 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 60.96 2qex s VAL 74 Cb -0.14 -2.86 -0.11 0.00 0.00 0.00 0.00 36.38 33.27 2qex s VAL 74 CO 0.03 0.28 1.59 -0.70 0.00 0.00 0.00 175.10 176.30 2qex s GLU 75 N -1.84 4.16 0.00 2.72 2.12 0.33 -2.74 118.70 123.45 2qex s GLU 75 Ca 0.22 2.50 0.00 0.00 0.36 0.00 0.00 54.97 58.05 2qex s GLU 75 Cb -0.12 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.20 2qex s GLU 75 CO 0.13 -0.62 0.00 -0.25 -0.54 0.00 0.00 175.26 173.98 2qex n ASP 76 N 2.88 0.00 -4.56 -1.70 8.00 -1.26 -4.59 116.55 115.32 2qex n ASP 76 Ca 0.10 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.25 2qex n ASP 76 Cb 0.38 -0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.39 2qex n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qex s VAL 77 N -0.93 3.77 0.38 2.53 1.01 -1.11 -4.89 120.40 121.16 2qex s VAL 77 Ca 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.21 2qex s VAL 77 Cb 0.00 -4.71 -0.01 0.00 0.00 0.00 0.00 36.38 31.66 2qex s VAL 77 CO 0.00 -1.56 0.09 0.35 0.00 0.00 0.00 175.10 173.98 2qex n THR 78 N 7.21 0.00 -4.11 3.92 -2.24 -1.26 -2.09 114.28 115.72 2qex n THR 78 Ca 0.38 -2.05 -0.14 0.00 -2.27 0.00 0.00 64.05 59.97 2qex n THR 78 Cb 0.49 0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 69.25 2qex n THR 78 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qex s LEU 79 N 0.00 2.29 -0.29 3.22 1.43 0.45 -4.63 118.68 121.15 2qex s LEU 79 Ca 0.13 -0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 52.46 2qex s LEU 79 Cb 0.01 -0.25 -0.03 0.00 0.03 0.00 0.00 46.19 45.94 2qex s LEU 79 CO 0.09 -0.20 0.33 -0.70 0.23 0.00 0.00 176.35 176.10 2qex s GLU 80 N -1.90 3.87 0.99 1.70 2.56 -1.26 -1.01 118.70 123.66 2qex s GLU 80 Ca -0.05 -0.17 -0.16 0.00 0.00 0.00 0.00 54.97 54.58 2qex s GLU 80 Cb -0.08 -3.70 0.20 0.00 2.00 0.00 0.00 34.13 32.55 2qex s GLU 80 CO 0.00 -0.32 1.26 0.15 -0.56 0.00 0.00 175.26 175.79 2qex s LYS 81 N 1.98 0.40 0.04 4.30 1.02 -0.79 -4.94 119.74 121.76 2qex s LYS 81 Ca 0.12 -0.25 -0.25 0.00 0.02 0.00 0.00 55.97 55.61 2qex s LYS 81 Cb -0.16 -1.80 -0.17 0.00 -0.52 0.00 0.00 37.83 35.18 2qex s LYS 81 CO 0.11 -2.60 1.52 1.15 -0.92 0.00 0.00 175.35 174.61 2qex h THR 82 N -1.78 1.01 0.00 2.17 2.02 -1.98 -2.92 112.91 111.43 2qex h THR 82 Ca -0.45 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 2qex h THR 82 Cb 1.26 1.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.94 2qex h THR 82 CO 0.41 0.10 -0.05 -2.24 0.37 0.00 0.00 175.52 174.12 2qex h ASP 83 N -0.33 0.00 0.00 4.18 3.04 -2.04 -3.46 116.42 117.81 2qex h ASP 83 Ca -0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 2qex h ASP 83 Cb 0.27 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.56 2qex h ASP 83 CO 0.02 0.05 0.00 0.61 -2.04 0.00 0.00 179.24 177.88 2qex n GLY 84 N -0.26 0.86 3.69 7.15 0.00 -1.10 -5.08 105.19 110.44 2qex n GLY 84 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 2qex n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qex n GLU 85 N 0.00 1.52 -2.84 1.61 2.13 -1.26 -4.38 120.64 117.41 2qex n GLU 85 Ca 0.00 0.55 -0.43 0.00 0.66 0.00 0.00 57.16 57.94 2qex n GLU 85 Cb 0.00 -2.32 -0.03 0.00 0.27 0.00 0.00 31.44 29.36 2qex n GLU 85 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2qex s GLU 86 N 3.91 3.42 0.54 5.31 2.12 -1.26 -1.88 118.70 130.85 2qex s GLU 86 Ca 0.97 -1.32 -0.09 0.00 0.36 0.00 0.00 54.97 54.89 2qex s GLU 86 Cb -0.93 -4.73 -0.04 0.00 0.26 0.00 0.00 34.13 28.69 2qex s GLU 86 CO 0.60 -1.86 0.91 0.14 -0.54 0.00 0.00 175.26 174.51 2qex s VAL 87 N 3.55 4.78 0.34 3.70 -7.23 -0.18 -4.75 120.40 120.62 2qex s VAL 87 Ca 0.31 0.61 -0.25 0.00 -1.81 0.00 0.00 61.98 60.84 2qex s VAL 87 Cb -0.08 -3.85 -0.10 0.00 0.56 0.00 0.00 36.38 32.91 2qex s VAL 87 CO -0.02 -0.94 0.96 -2.16 -0.31 0.00 0.00 175.10 172.62 2qex s PRO 88 N -4.81 4.50 -0.29 4.82 0.04 -1.26 0.17 135.00 138.17 2qex s PRO 88 Ca 0.52 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 62.77 2qex s PRO 88 Cb -0.11 -2.70 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 2qex s PRO 88 CO 0.47 0.20 0.18 0.50 0.04 0.00 0.00 177.00 178.39 2qex s ARG 89 N -2.23 3.69 0.55 4.56 6.06 -0.89 -4.72 118.95 125.97 2qex s ARG 89 Ca 0.52 -0.49 -0.21 0.00 -2.50 0.00 0.00 55.73 53.05 2qex s ARG 89 Cb -0.18 -3.62 -0.05 0.00 0.06 0.00 0.00 34.95 31.16 2qex s ARG 89 CO 0.23 -0.29 1.22 -2.30 -2.50 0.00 0.00 175.30 171.66 2qex n PRO 90 N 5.03 1.44 -4.15 5.12 -0.02 -1.26 -4.71 135.00 136.44 2qex n PRO 90 Ca -0.14 0.53 -0.17 0.00 -2.02 0.00 0.00 63.50 61.70 2qex n PRO 90 Cb 0.51 -2.41 -0.12 0.00 -0.02 0.00 0.00 33.50 31.46 2qex n PRO 90 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qex s LEU 91 N -2.80 2.28 -0.14 2.45 1.43 -0.94 -4.97 118.68 116.00 2qex s LEU 91 Ca 0.72 -0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 53.06 2qex s LEU 91 Cb -0.43 -0.46 -0.05 0.00 0.03 0.00 0.00 46.19 45.28 2qex s LEU 91 CO 0.49 -0.10 0.35 -0.62 0.23 0.00 0.00 176.35 176.71 2qex s ASP 92 N -1.73 6.53 0.33 2.29 -1.08 -1.26 -2.17 116.67 119.58 2qex s ASP 92 Ca -0.03 0.63 0.20 0.00 -0.52 0.00 0.00 52.55 52.83 2qex s ASP 92 Cb -0.10 -2.22 1.08 0.00 -1.46 0.00 0.00 42.92 40.23 2qex s ASP 92 CO 0.02 0.09 1.58 0.35 0.52 0.00 0.00 175.17 177.73 2qex n THR 93 N 3.48 0.93 0.17 1.71 -2.24 -1.26 -1.42 114.28 115.64 2qex n THR 93 Ca -0.11 0.74 0.03 0.00 -2.27 0.00 0.00 64.05 62.45 2qex n THR 93 Cb 0.52 -1.74 0.28 0.00 -2.10 0.00 0.00 70.33 67.28 2qex n THR 93 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2qex h SER 94 N 0.00 0.00 -0.76 3.42 0.87 -1.92 -2.75 113.55 112.41 2qex h SER 94 Ca 0.00 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.18 2qex h SER 94 Cb 0.14 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 61.88 2qex h SER 94 CO 0.00 0.47 0.48 0.59 -0.53 0.00 0.00 176.83 177.83 2qex n ASN 95 N -3.68 3.68 -4.03 6.23 3.02 -0.51 -4.94 115.26 115.03 2qex n ASN 95 Ca -0.01 -3.22 -0.08 0.00 -0.03 0.00 0.00 54.58 51.24 2qex n ASN 95 Cb 0.54 -0.76 -0.10 0.00 -0.61 0.00 0.00 39.78 38.85 2qex n ASN 95 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2qex s VAL 96 N -2.58 0.16 -0.05 2.41 1.01 -1.04 -2.01 120.40 118.31 2qex s VAL 96 Ca 0.45 -1.32 0.02 0.00 0.00 0.00 0.00 61.98 61.13 2qex s VAL 96 Cb 0.37 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.92 2qex s VAL 96 CO 0.09 -0.73 -0.09 -0.60 0.00 0.00 0.00 175.10 173.78 2qex s ARG 97 N -2.61 1.21 -0.09 2.72 3.52 -0.62 -3.53 118.95 119.55 2qex s ARG 97 Ca -0.05 -0.27 -0.29 0.00 -0.13 0.00 0.00 55.73 54.99 2qex s ARG 97 Cb -0.02 -1.08 -0.02 0.00 -1.56 0.00 0.00 34.95 32.28 2qex s ARG 97 CO -0.05 0.01 0.95 0.08 -0.81 0.00 0.00 175.30 175.48 2qex s VAL 98 N 0.65 4.83 -0.27 7.11 1.01 -0.52 -0.38 120.40 132.84 2qex s VAL 98 Ca -0.11 1.94 0.10 0.00 0.00 0.00 0.00 61.98 63.91 2qex s VAL 98 Cb -0.14 -4.27 -0.13 0.00 0.00 0.00 0.00 36.38 31.85 2qex s VAL 98 CO 0.02 0.06 0.33 0.35 0.00 0.00 0.00 175.10 175.85 2qex n THR 99 N 4.40 0.00 -3.63 3.92 -2.24 0.58 -2.38 114.28 114.93 2qex n THR 99 Ca 0.07 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.45 2qex n THR 99 Cb 0.49 0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 69.33 2qex n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qex s ASP 100 N -2.45 -0.66 0.19 3.42 -1.08 -0.99 -4.97 116.67 110.14 2qex s ASP 100 Ca 0.00 1.16 0.07 0.00 -0.52 0.00 0.00 52.55 53.27 2qex s ASP 100 Cb 0.07 1.15 -0.04 0.00 -1.46 0.00 0.00 42.92 42.64 2qex s ASP 100 CO 0.41 -0.30 0.03 -0.76 0.52 0.00 0.00 175.17 175.06 2qex s LEU 101 N 0.01 3.39 -0.48 -1.34 1.43 -1.26 -0.75 118.68 119.68 2qex s LEU 101 Ca -0.02 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.56 2qex s LEU 101 Cb -0.04 -2.01 0.11 0.00 0.03 0.00 0.00 46.19 44.28 2qex s LEU 101 CO 0.03 0.06 0.37 -0.62 0.23 0.00 0.00 176.35 176.42 2qex s ASP 102 N -3.14 5.87 -0.50 2.29 -1.08 -1.26 -4.82 116.67 114.03 2qex s ASP 102 Ca 0.29 -1.71 0.03 0.00 -0.52 0.00 0.00 52.55 50.64 2qex s ASP 102 Cb -0.09 -2.08 0.53 0.00 -1.46 0.00 0.00 42.92 39.82 2qex s ASP 102 CO 0.20 -0.69 1.82 0.18 0.52 0.00 0.00 175.17 177.19 2qex n LEU 103 N 5.04 6.53 -0.19 -1.34 4.77 -1.26 -4.60 117.00 125.95 2qex n LEU 103 Ca -0.11 -4.05 -0.07 0.00 -0.03 0.00 0.00 56.01 51.75 2qex n LEU 103 Cb 0.41 -0.81 0.02 0.00 -2.33 0.00 0.00 43.42 40.72 2qex n LEU 103 CO 0.46 1.38 1.03 -0.33 -1.33 0.00 0.00 177.39 178.59 2qex h GLU 104 N 1.54 0.77 -6.65 3.23 5.08 -2.03 -3.42 114.58 113.11 2qex h GLU 104 Ca 0.53 -0.10 -0.53 0.00 -1.00 0.00 0.00 59.36 58.27 2qex h GLU 104 Cb 1.69 -0.15 0.03 0.00 0.50 0.00 0.00 28.75 30.82 2qex h GLU 104 CO 1.16 0.61 0.70 0.34 -1.00 0.00 0.00 179.01 180.81 2qex s ASP 105 N -5.88 6.82 -0.01 1.42 2.15 -1.26 -4.94 116.67 114.97 2qex s ASP 105 Ca -0.13 2.43 -0.25 0.00 0.43 0.00 0.00 52.55 55.04 2qex s ASP 105 Cb 0.12 -2.60 -0.18 0.00 -0.30 0.00 0.00 42.92 39.95 2qex s ASP 105 CO 0.77 -0.60 1.22 -0.33 -0.17 0.00 0.00 175.17 176.06 2qex h GLU 106 N 5.77 -0.15 -0.80 4.34 5.08 -2.00 -3.06 114.58 123.76 2qex h GLU 106 Ca -0.44 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.05 2qex h GLU 106 Cb 1.21 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.41 2qex h GLU 106 CO 0.80 0.25 0.41 0.87 -1.00 0.00 0.00 179.01 180.35 2qex h LYS 107 N -0.60 0.62 0.35 2.33 1.57 -1.96 0.47 116.57 119.36 2qex h LYS 107 Ca -0.02 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2qex h LYS 107 Cb 0.47 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2qex h LYS 107 CO 0.03 0.41 -0.17 -0.09 -0.57 0.00 0.00 179.45 179.06 2qex h ARG 108 N 0.64 -0.46 -0.94 3.15 2.43 -1.96 -0.42 114.38 116.82 2qex h ARG 108 Ca 0.42 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.74 2qex h ARG 108 Cb 0.52 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.09 2qex h ARG 108 CO -0.32 -0.26 0.56 1.49 -1.51 0.00 0.00 179.97 179.94 2qex h GLU 109 N -0.55 0.87 0.31 0.20 4.81 -1.31 -1.61 114.58 117.29 2qex h GLU 109 Ca -0.05 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 2qex h GLU 109 Cb 0.41 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2qex h GLU 109 CO 0.08 0.57 -0.15 0.00 -0.73 0.00 0.00 179.01 178.79 2qex h ALA 110 N 1.52 -0.41 -0.66 2.92 0.00 -0.59 -3.08 119.26 118.97 2qex h ALA 110 Ca 0.47 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.32 2qex h ALA 110 Cb 0.48 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2qex h ALA 110 CO -0.27 -0.67 0.43 0.00 0.00 0.00 0.00 179.25 178.74 2qex h ARG 111 N -0.53 0.62 -0.15 0.00 3.08 -0.46 -2.04 114.38 114.91 2qex h ARG 111 Ca -0.04 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 2qex h ARG 111 Cb 0.39 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2qex h ARG 111 CO 0.07 0.41 0.09 -0.07 -1.07 0.00 0.00 179.97 179.40 2qex h LEU 112 N 0.64 0.18 -0.62 3.04 3.38 -1.23 -3.18 115.31 117.51 2qex h LEU 112 Ca 0.29 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 58.06 2qex h LEU 112 Cb 0.31 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2qex h LEU 112 CO -0.09 0.17 -0.61 -0.33 0.09 0.00 0.00 178.44 177.68 2qex h GLU 113 N 0.17 0.28 -6.97 1.13 5.08 -1.38 -3.45 114.58 109.45 2qex h GLU 113 Ca 0.05 -0.20 -0.54 0.00 -1.00 0.00 0.00 59.36 57.68 2qex h GLU 113 Cb 0.03 0.03 0.11 0.00 0.50 0.00 0.00 28.75 29.42 2qex h GLU 113 CO -0.01 0.80 0.76 -1.54 -1.00 0.00 0.00 179.01 178.02 2qex s SER 114 N -6.90 6.14 -0.01 1.42 1.04 -0.80 -4.92 113.70 109.67 2qex s SER 114 Ca -0.04 3.02 -0.02 0.00 0.48 0.00 0.00 55.95 59.38 2qex s SER 114 Cb 0.12 -2.66 -0.27 0.00 0.10 0.00 0.00 66.02 63.30 2qex s SER 114 CO 0.81 -1.01 0.82 1.05 0.98 0.00 0.00 173.24 175.88 2qex h GLU 115 N 2.72 0.23 0.00 4.02 4.11 -1.87 -3.35 114.58 120.44 2qex h GLU 115 Ca -0.51 -0.39 0.00 0.00 0.07 0.00 0.00 59.36 58.53 2qex h GLU 115 Cb 1.25 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.65 2qex h GLU 115 CO 0.63 1.08 0.00 -0.25 0.07 0.00 0.00 179.01 180.54 2qex n ASP 116 N -3.43 0.00 -3.87 3.06 8.00 -1.26 -4.74 116.55 114.31 2qex n ASP 116 Ca -0.17 -0.04 -0.13 0.00 0.71 0.00 0.00 54.79 55.15 2qex n ASP 116 Cb 1.04 -0.25 -0.14 0.00 -0.02 0.00 0.00 41.12 41.75 2qex n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2qex s ASP 117 N -2.50 0.12 0.32 -2.24 -1.08 -1.26 -5.15 116.67 104.88 2qex s ASP 117 Ca 0.18 -0.01 -0.06 0.00 -0.52 0.00 0.00 52.55 52.14 2qex s ASP 117 Cb 0.12 -0.03 -0.05 0.00 -1.46 0.00 0.00 42.92 41.50 2qex s ASP 117 CO 0.27 -0.01 0.61 -0.94 0.52 0.00 0.00 175.17 175.62 2qex s SER 118 N 0.13 6.46 0.00 -0.34 1.04 -1.26 -4.68 113.70 115.04 2qex s SER 118 Ca -0.01 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.23 2qex s SER 118 Cb -0.02 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.91 2qex s SER 118 CO -0.00 -0.25 0.07 0.00 0.98 0.00 0.00 173.24 174.04